SCHEMBL5909083

SCHEMBL5909083

CC(C)C(CCCOP(=O)(O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 5/20 0.50
SMPD1 P17405 3/20 0.37
LPAR5 Q9H1C0 1/20 0.35
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5909167 0.94 LPAR3 (0.53) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5909088 0.87 LPAR3 (0.43) LPAR3LPAR2LPAR1LPAR5CDC25A
SCHEMBL1923637 0.83 LPAR3 (0.54) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5909150 0.82 LPAR3 (0.50) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL19894393 0.80 LPAR3 (0.43) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963341 0.79 LPAR3 (0.46) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL13056120 0.78 LPAR3 (0.53) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL5963400 0.78 LPAR3 (0.48) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL29837004 0.78 LPAR3 (0.53) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL215088 0.77 LPAR3 (0.57) LPAR3LPAR2LPAR1SMPD1LPAR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014843-A1 Vapor pressure depressant and use thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-01-19 US claimed
EP-1561793-A1 VAPOR PRESSURE DEPRESSANT AND USE THEREOF Daihachi Chemical Industry Co., Ltd. (JP) 2005-08-10 EP claimed
US-20060014843-A1 Vapor pressure depressant and use thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-01-19 US disclosed
EP-1561793-A1 VAPOR PRESSURE DEPRESSANT AND USE THEREOF Daihachi Chemical Industry Co., Ltd. (JP) 2005-08-10 EP disclosed